N-(2-fluorophenyl)-2-methyl-4-oxidanylidene-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-(2-fluorophenyl)-2-methyl-4-oxidanylidene-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(2-fluorophenyl)-2-methyl-4-oxo-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(2-fluorophenyl)-2-methyl-4-oxo-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(2-fluorophenyl)-2-methyl-4-oxo-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(2-fluorophenyl)-4-keto-2-methyl-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C19H21FN2O3S2 MolecularWeight: 408.510043

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=CC=C1F)S(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C

Isomeric SMILES

CCCN(C1=CC=CC=C1F)S(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C

InChI

InChI=1S/C19H21FN2O3S2/c1-3-10-22(17-7-5-4-6-15(17)20)27(24,25)14-8-9-18-16(12-14)21-19(23)11-13(2)26-18/h4-9,12-13H,3,10-11H2,1-2H3,(H,21,23)